3-[(4-bromophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-(brosylamino)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]propionamide Formula: C22H29BrN3O4S+ MolecularWeight: 511.45236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br)[NH+]3CCCC3

InChI

InChI=1S/C22H28BrN3O4S/c1-30-19-8-4-17(5-9-19)21(26-14-2-3-15-26)16-24-22(27)12-13-25-31(28,29)20-10-6-18(23)7-11-20/h4-11,21,25H,2-3,12-16H2,1H3,(H,24,27)/p+1/t21-/m0/s1